Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(Br)C=C(Cl)C=C1CNCCCNC1=NC(=O)C2=C(N1)C=CS2

InChIKey

InChIKey=TXHSRIQDAQRMPD-UHFFFAOYSA-N

Formula

C18H20BrClN4O2S

Mass

471.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thienopyrimidine - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Organonitrogen compound - Amine - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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